UCSF

ZINC00406907

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 11 Yes

Popular Name: 2-Methoxyphenylacetonitrile 2-Methoxyphenylacetonitrile

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CAS Numbers: 3/2/7035 12:00:00 AM , 5211-62-1 , 7035-03-2 , [7035-03-2]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.91 5.03 -7.86 0 2 0 33 147.177 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 141-143?/15mm Alfa-Aesar
Boiling_Point 141-143°/15mm Alfa-Aesar
MP 65 - 68 Enamine Building Blocks
M.P 65-67 °C Indofine
MP 65...68 Enamine Building Blocks
Melting_Point 66-70? Alfa-Aesar
Melting_Point 66-70° Alfa-Aesar
MP 68 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
BP 97 / 0.9 TCI

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Analogs ( Draw Identity 99% 90% 80% 70% )